Geometry & MOs

Info

ID:	373698
PubChem CID:	131318896
Reduced:	NC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	226.071783
ΔH_f, kcal/mol:	29.93
Dipole, Da:	5.79
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C#N)[C@H]2CCCNC2

DOS

IR

Vibrations